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Abstract

QSAR STUDIES OF 2 AMINO-6-ARYLTHIO-9-[2- (PHOSPHONOMETHOXY) ETHYL] PURINE BIS (2’2’2- TRIFLUOROETHYL) ESTERS AS NOVEL HBV -SPECIFIC ANTIVIRAL REAGENTS

Pratiksha Patel*, Shailja Sachan, Bhupendra Kumar Verma, Prabhanand Patel and Balendra Singh

ABSTRACT

In this Quantitative structure-activity relationship (QSAR) study 18 derivatives of Esters are taken to correlate and predict the antihepatitis activity against Gram-negative virus. Multiple Linear Regression analysis is used to select the best descriptors and predict the activity of the model selected by cross validation. Our result is based on the correlation between descriptors and experimental inhibitory values. Topological descriptors are used for this analysis. Best model represents higher values of regression coefficient with r2=0.7946 and r2adj=0.7314.

Keywords: Antihepatitis, Esters, molecular descriptor, QSAR.


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